4-methyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid

Systemtic Name: 4-methyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid Openeye Name: 4-methyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid CAS Name: 4-methyl-5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylic acid IUPAC Name: 4-methyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid Traditional Name: 4-methyl-5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylic acid Formula: C16H14O2S MolecularWeight: 270.34616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC3=CC=CC=C3SC2=CC(=C1)C(=O)O

Isomeric SMILES

CC1=C2CCC3=CC=CC=C3SC2=CC(=C1)C(=O)O

InChI

InChI=1S/C16H14O2S/c1-10-8-12(16(17)18)9-15-13(10)7-6-11-4-2-3-5-14(11)19-15/h2-5,8-9H,6-7H2,1H3,(H,17,18)